SCHEMBL513857

SCHEMBL513857

C(=C1CCNCC1)c1nnc(-c2cccs2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.51
ALDH1A1 P00352 12/20 0.51
RAB9A P51151 12/20 0.51
SMN1; SMN2 Q16637 11/20 0.51
HPGD P15428 10/20 0.51
NPC1 O15118 9/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CASP3 P42574 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 4/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10475798 0.78 RAB9A (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL512888 0.76 HDAC1 (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL512779 0.76 MAOA (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13762461 0.73 KDM4E (0.70) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL28975849 0.72 KDM4E (0.62) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL512846 0.71 KDM4E (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL513704 0.71 RAB9A (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL22471879 0.67 ATAD2 (0.61) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL7058937 0.67 KDM4E (0.67) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30310194 0.66 ALDH1A1 (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 KDM4E 3490/4885ALDH1A1 2610/4885RAB9A 2058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.